title: Modified embedded-atom method interatomic potential for the Fe-Al system.
abstract: An interatomic potential for the Fe-Al binary system has been developed based on the modified embedded-atom method (MEAM) potential formalism. The potential can describe various fundamental physical properties of Fe-Al binary alloys--structural, elastic and thermodynamic properties, defect formation behavior and interactions between defects--in reasonable agreement with experimental data or higher-level calculations. The applicability of the potential to atomistic investigations of various defect formation behaviors and their effects on the mechanical properties of high aluminum steels as well as Fe-Al binary alloys is demonstrated.
authors.affiliation: Department of Materials Science and Engineering, Pohang University of Science and Technology, Pohang 790-784, Republic of Korea.
authors.forename: Eunkoo
authors.initials: E
authors.lastname: Lee
authors.forename: Byeong-Joo
authors.initials: BJ
authors.lastname: Lee